6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine

C8H11N7 — CID 127043770

IUPAC6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESc1nnc2nnc(N3CCCCC3)nn12
InChIInChI=1S/C8H11N7/c1-2-4-14(5-3-1)8-12-11-7-10-9-6-15(7)13-8/h6H,1-5H2
InChIKeyLDFMIRYKLOQJGZ-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.10
Rot. Bonds1

About 6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine

6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (PubChem CID 127043770) has the molecular formula C8H11N7 and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.

Molecular Properties

Compound Name6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
PubChem CID127043770
Molecular FormulaC8H11N7
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
SMILESc1nnc2nnc(N3CCCCC3)nn12
InChIInChI=1S/C8H11N7/c1-2-4-14(5-3-1)8-12-11-7-10-9-6-15(7)13-8/h6H,1-5H2
InChIKeyLDFMIRYKLOQJGZ-UHFFFAOYSA-N
XLogP-0.10
TPSA72.10 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-(Pyrrolidin-l-yl)-1,2,4-triazolo[4,3-b][1,2,4,5]tetrazine
CID 566048
6-(4-Methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine
CID 127045182
7-Ethoxy-5-(piperidin-1-yl)[1,2,4]triazolo[1,5-a][1,3,5]-triazine
CID 171118053
2-Ethyl-7-(piperidin-1-yl)[1,2,4]triazolo[4,3-a][1,3,5]-triazin-2-ium-5-olate
CID 171118056
7-(Piperidin-1-yl)-[1,2,3,4]tetrazolo[1,5-a][1,3,5]triazin-5-amine
CID 91698277
1-(1,2,4-Triazol-1-ylmethyl)piperidine
CID 4418202
1-(1-Methyl-1,2,4-triazol-3-yl)piperidine
CID 21854915
N-butyl-N-methyl-[1,2,4]triazolo[4,3-a][1,3,5]triazin-5-amine
CID 91070862
1-(2-Methyl-1,2,4-triazol-3-yl)piperidine
CID 14221649
2-Chloro-4-(2-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 55124339
2-Chloro-4-(4-methylpiperidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 62868174
2-Chloro-4-piperidin-1-yl-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
CID 62868508

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The IUPAC name of 6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine (CID 127043770) is 6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine.
What is the SMILES notation for 6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The canonical SMILES for 6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is c1nnc2nnc(N3CCCCC3)nn12.
What is the InChIKey of 6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
The InChIKey is LDFMIRYKLOQJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7/c1-2-4-14(5-3-1)8-12-11-7-10-9-6-15(7)13-8/h6H,1-5H2.
What are the key properties of 6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine?
6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine has a molecular weight of 205.22 g/mol, XLogP of -0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-[1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine is sourced from PubChem (CID 127043770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).